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Does chemistry need more physics ?
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In this mini-review I look into the physics underlying the theory of electronic structure of atoms and molecules. Quantum mechanics is needed to understand the structure of the periodic table. Special relativity is indispensable for a correct description of the chemistry of the heavy elements. With increased accuracy of quantum chemical calculations, it is natural to ask if chemistry needs more physics.
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Cited by 1 Pith paper
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Linear-Response Quantum-Electrodynamical Density Functional Theory Based on Two-Component X2C Hamiltonians
A two-component X2C linear-response QEDFT method is derived, validated against four-component references, and applied to 2D spectra of mercury porphyrin and collective coupling in an AuH chain.
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